Studies are discussed on selected impurity/alloying-element/Iron grain boundaries (GB) and free surface (FS) systems. The studies determined the effects of P, H, and P/Mo. H/Pd couples on iron grain boundary strength and fracture. A combination of molecular dynamics and first-principles electronic structure calculations has been used.
|Original language||English (US)|
|Number of pages||7|
|Journal||Materials Research Society Symposium - Proceedings|
|State||Published - Dec 1 1997|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials